4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine

C28H29N3O4 — CID 25123474

IUPAC4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine
SMILESCOc1cc(-c2cnc3cccc(-c4ccc(CN5CCOCC5)cc4)c3n2)cc(OC)c1OC
InChIInChI=1S/C28H29N3O4/c1-32-25-15-21(16-26(33-2)28(25)34-3)24-17-29-23-6-4-5-22(27(23)30-24)20-9-7-19(8-10-20)18-31-11-13-35-14-12-31/h4-10,15-17H,11-14,18H2,1-3H3
InChIKeyWLUISUFZNRYUDB-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.82
Rot. Bonds7

About 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine

4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine (PubChem CID 25123474) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine
PubChem CID25123474
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Name4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine
SMILESCOc1cc(-c2cnc3cccc(-c4ccc(CN5CCOCC5)cc4)c3n2)cc(OC)c1OC
InChIInChI=1S/C28H29N3O4/c1-32-25-15-21(16-26(33-2)28(25)34-3)24-17-29-23-6-4-5-22(27(23)30-24)20-9-7-19(8-10-20)18-31-11-13-35-14-12-31/h4-10,15-17H,11-14,18H2,1-3H3
InChIKeyWLUISUFZNRYUDB-UHFFFAOYSA-N
XLogP4.82
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine (CID 25123474) is 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine is COc1cc(-c2cnc3cccc(-c4ccc(CN5CCOCC5)cc4)c3n2)cc(OC)c1OC.
What is the InChIKey of 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine?
The InChIKey is WLUISUFZNRYUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-32-25-15-21(16-26(33-2)28(25)34-3)24-17-29-23-6-4-5-22(27(23)30-24)20-9-7-19(8-10-20)18-31-11-13-35-14-12-31/h4-10,15-17H,11-14,18H2,1-3H3.
What are the key properties of 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine?
4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine has a molecular weight of 471.56 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 25123474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).